Compile Data Set for Download or QSAR

Found 124 hits of ic50 data for polymerid = 49000676,9123   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nischarin (Homo sapiens (Human))	BDBM50050093 ((4-Chloro-6-methoxy-2-methyl-pyrimidin-5-yl)-imida...) Show SMILES [#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514738 (CHEMBL4536304) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9| Show InChI InChI=1S/C17H21N2O6P/c1-4-24-26(22,25-5-2)15-14-13(10-18-15)16(20)19(17(14)21)11-6-8-12(23-3)9-7-11/h6-10,13-15H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514744 (CHEMBL4434967) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H27N2O5P/c1-3-30-32(29,31-4-2)24(19-13-9-6-10-14-19)21-20(17-25-24)22(27)26(23(21)28)16-15-18-11-7-5-8-12-18/h5-14,17,20-21H,3-4,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514724 (CHEMBL4535472) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C22H29N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5,7-8,11-12,15,17-19H,3-4,6,9-10,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514719 (CHEMBL4590209) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C28H27N2O5P/c1-3-34-36(33,35-4-2)28(22-13-9-6-10-14-22)25-24(19-29-28)26(31)30(27(25)32)23-17-15-21(16-18-23)20-11-7-5-8-12-20/h5-19,24-25H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50497440 (CHEMBL3343698) Show SMILES Fc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1 Show InChI InChI=1S/C10H10FN5/c11-8-1-2-9-7(5-8)6-14-16(9)15-10-12-3-4-13-10/h1-2,5-6H,3-4H2,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]2BF1 from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 87: 386-97 (2014) Article DOI: 10.1016/j.ejmech.2014.09.083 BindingDB Entry DOI: 10.7270/Q2MW2M45
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514737 (CHEMBL4482861) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9| Show InChI InChI=1S/C22H23N2O5P/c1-3-28-30(27,29-4-2)22(16-11-7-5-8-12-16)19-18(15-23-22)20(25)24(21(19)26)17-13-9-6-10-14-17/h5-15,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
Gda£?sk University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting				Bioorg Med Chem Lett 19: 1009-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.055 BindingDB Entry DOI: 10.7270/Q2125SJ6
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50270556 (1-[(Imidazolidin-2-yl)imino]-7-methylindazole hydr...) Show SMILES [#6]-c1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12 Show InChI InChI=1S/C11H13N5/c1-8-3-2-4-9-7-14-16(10(8)9)15-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gda£?sk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline 1 receptor in Sprague-Dawley rat kidney				J Med Chem 51: 3599-608 (2008) Article DOI: 10.1021/jm800112s BindingDB Entry DOI: 10.7270/Q2NV9J22
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50256481 (([4(5)S]-4(5)-(2-aminoethyl)imidazoline) dihydrobr...) Show SMILES NCC[C@H]1CNC(N)=N1 |r,c:7| Show InChI InChI=1S/C5H12N4/c6-2-1-4-3-8-5(7)9-4/h4H,1-3,6H2,(H3,7,8,9)/t4-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Gda£?sk University of Technology Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney by liquid scintillation counting				Bioorg Med Chem Lett 19: 1009-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.055 BindingDB Entry DOI: 10.7270/Q2125SJ6
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514725 (CHEMBL4459090) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C17H21N2O5P/c1-4-23-25(22,24-5-2)17(12-9-7-6-8-10-12)14-13(11-18-17)15(20)19(3)16(14)21/h6-11,13-14H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50360020 (CHEMBL1928335) Show SMILES Cc1cc2nn(CC3=NCCN3)nc2cc1C |t:7| Show InChI InChI=1S/C12H15N5/c1-8-5-10-11(6-9(8)2)16-17(15-10)7-12-13-3-4-14-12/h5-6H,3-4,7H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by scintillation counting				Bioorg Med Chem 20: 108-16 (2011) Article DOI: 10.1016/j.bmc.2011.11.025 BindingDB Entry DOI: 10.7270/Q2DJ5G10
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50360002 (CHEMBL1928323) Show SMILES Clc1cccc2cnn(CC3=NCCN3)c12 |t:10| Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-8-6-15-16(11(8)9)7-10-13-4-5-14-10/h1-3,6H,4-5,7H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by scintillation counting				Bioorg Med Chem 20: 108-16 (2011) Article DOI: 10.1016/j.bmc.2011.11.025 BindingDB Entry DOI: 10.7270/Q2DJ5G10
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334557 (CHEMBL1644513 | [4(5)S]-4(5)-(2-Aminoethyl)-2-(2-e...) Show SMILES CCC1(Cc2ccccc2O1)C1=NC[C@H](CCN)N1 |r,t:13| Show InChI InChI=1S/C15H21N3O/c1-2-15(14-17-10-12(18-14)7-8-16)9-11-5-3-4-6-13(11)19-15/h3-6,12H,2,7-10,16H2,1H3,(H,17,18)/t12-,15?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334550 (CHEMBL1644506 | [4(5)R]-4(5)-(2-Aminoethyl)-2-[(3-...) Show SMILES NCC[C@@H]1CN=C(Nc2cccc(c2)C(F)(F)F)N1 |r,t:5| Show InChI InChI=1S/C12H15F3N4/c13-12(14,15)8-2-1-3-9(6-8)18-11-17-7-10(19-11)4-5-16/h1-3,6,10H,4-5,7,16H2,(H2,17,18,19)/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334549 (CHEMBL1644505 | [4(5)S]-4(5)-(2-Aminoethyl)-2-[(3-...) Show SMILES NCC[C@H]1CN=C(Nc2cccc(c2)C(F)(F)F)N1 |r,t:5| Show InChI InChI=1S/C12H15F3N4/c13-12(14,15)8-2-1-3-9(6-8)18-11-17-7-10(19-11)4-5-16/h1-3,6,10H,4-5,7,16H2,(H2,17,18,19)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514718 (CHEMBL4438158) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(18-13-9-6-10-14-18)20-19(15-24-23)21(26)25(22(20)27)16-17-11-7-5-8-12-17/h5-15,19-20H,3-4,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334547 (CHEMBL1644496 | [4(5)S]-4(5)-(2-Aminoethyl)-2-[(2,...) Show SMILES NCC[C@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1 |r,t:5| Show InChI InChI=1S/C11H14Cl2N4/c12-7-1-2-10(9(13)5-7)17-11-15-6-8(16-11)3-4-14/h1-2,5,8H,3-4,6,14H2,(H2,15,16,17)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50497433 (CHEMBL3343702) Show SMILES Fc1cccc2n(CC3=NCCN3)ncc12 |t:8| Show InChI InChI=1S/C11H11FN4/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11/h1-3,6H,4-5,7H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]2BF1 from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 87: 386-97 (2014) Article DOI: 10.1016/j.ejmech.2014.09.083 BindingDB Entry DOI: 10.7270/Q2MW2M45
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334195 (4-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1cccc2n[nH]c(N=C3NCCN3)c12 |(20.22,-2.74,;20.26,-1.21,;18.95,-.4,;18.99,1.14,;20.34,1.87,;21.66,1.07,;23.13,1.5,;24.01,.23,;23.07,-.99,;23.88,-2.31,;25.41,-2.28,;26.29,-1.01,;27.77,-1.45,;27.8,-2.99,;26.34,-3.5,;21.62,-.47,)| Show InChI InChI=1S/C10H10ClN5/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10/h1-3H,4-5H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting				Bioorg Med Chem 19: 321-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.020 BindingDB Entry DOI: 10.7270/Q2FQ9WX5
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334203 (6-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1ccc2c(N=C3NCCN3)[nH]nc2c1 |(31.19,-27.47,;32.5,-28.27,;32.46,-29.82,;33.77,-30.62,;35.13,-29.89,;36.58,-30.4,;37.39,-31.72,;38.92,-31.69,;39.8,-30.42,;41.28,-30.86,;41.3,-32.4,;39.85,-32.91,;37.51,-29.18,;36.64,-27.92,;35.17,-28.35,;33.85,-27.54,)| Show InChI InChI=1S/C10H10ClN5/c11-6-1-2-7-8(5-6)15-16-9(7)14-10-12-3-4-13-10/h1-2,5H,3-4H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting				Bioorg Med Chem 19: 321-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.020 BindingDB Entry DOI: 10.7270/Q2FQ9WX5
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50497436 (CHEMBL3343703) Show SMILES Fc1ccc2n(CC3=NCCN3)ncc2c1 |t:7| Show InChI InChI=1S/C11H11FN4/c12-9-1-2-10-8(5-9)6-15-16(10)7-11-13-3-4-14-11/h1-2,5-6H,3-4,7H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]2BF1 from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 87: 386-97 (2014) Article DOI: 10.1016/j.ejmech.2014.09.083 BindingDB Entry DOI: 10.7270/Q2MW2M45
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334560 (CHEMBL1644516 | [4(5)R]-4(5)-(2-Aminoethyl)-2-(2,3...) Show SMILES NCC[C@@H]1CN=C(N1)C1COc2ccccc2O1 |r,c:5| Show InChI InChI=1S/C13H17N3O2/c14-6-5-9-7-15-13(16-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-4,9,12H,5-8,14H2,(H,15,16)/t9-,12?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334552 (CHEMBL1644508 | [4(5)R]-4(5)-(2-Aminoethyl)-2-[(2,...) Show SMILES NCC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 |r,t:5| Show InChI InChI=1S/C11H14Cl2N4/c12-8-2-1-3-9(13)10(8)17-11-15-6-7(16-11)4-5-14/h1-3,7H,4-6,14H2,(H2,15,16,17)/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272774 (2-(2-(thiophen-2-yl)ethyl)-4,5-dihydro-1H-imidazol...) Show SMILES C(Cc1cccs1)C1=NCCN1 |t:8| Show InChI InChI=1S/C9H12N2S/c1-2-8(12-7-1)3-4-9-10-5-6-11-9/h1-2,7H,3-6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334194 (3-[(Imidazolidin-2-yl)imino]indazole hydrochloride...) Show SMILES C1CNC(N1)=Nc1[nH]nc2ccccc12 |(1.21,-.87,;1.24,-2.41,;-.21,-2.92,;-1.14,-1.7,;-.27,-.43,;-2.68,-1.73,;-3.49,-.41,;-2.55,.82,;-3.42,2.08,;-4.9,1.65,;-6.21,2.45,;-7.56,1.72,;-7.61,.18,;-6.29,-.63,;-4.93,.11,)| Show InChI InChI=1S/C10H11N5/c1-2-4-8-7(3-1)9(15-14-8)13-10-11-5-6-12-10/h1-4H,5-6H2,(H3,11,12,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting				Bioorg Med Chem 19: 321-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.020 BindingDB Entry DOI: 10.7270/Q2FQ9WX5
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514726 (CHEMBL4546903) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9| Show InChI InChI=1S/C16H19N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h5-10,12-14H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272777 (2-(2-Cyclohexyl-ethyl)-4,5-dihydro-1H-imidazole | ...) Show SMILES C(CC1=NCCN1)C1CCCCC1 |t:2| Show InChI InChI=1S/C11H20N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h10H,1-9H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334539 ((S)-4-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro...) Show SMILES NCC[C@H]1CN=C(Nc2ccccc2Br)N1 |r,t:5| Show InChI InChI=1S/C11H15BrN4/c12-9-3-1-2-4-10(9)16-11-14-7-8(15-11)5-6-13/h1-4,8H,5-7,13H2,(H2,14,15,16)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272779 (2-[2-(3-Nitro-biphenyl-2-yl)-ethyl]-4,5-dihydro-1H...) Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccccc1CCC1=NCCN1 |t:19| Show InChI InChI=1S/C17H17N3O2/c21-20(22)15-6-3-5-14(12-15)16-7-2-1-4-13(16)8-9-17-18-10-11-19-17/h1-7,12H,8-11H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334197 (7-Chloro-3-[(imidazolidin-2-yl)imino]indazole hydr...) Show SMILES Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)| Show InChI InChI=1S/C10H10ClN5/c11-7-3-1-2-6-8(7)15-16-9(6)14-10-12-4-5-13-10/h1-3H,4-5H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting				Bioorg Med Chem 19: 321-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.020 BindingDB Entry DOI: 10.7270/Q2FQ9WX5
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272781 (2-[2-(2-Chloro-phenyl)-ethyl]-4,5-dihydro-1H-imida...) Show SMILES Clc1ccccc1CCC1=NCCN1 |t:10| Show InChI InChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4H,5-8H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334559 (CHEMBL1644515 | [4(5)S]-4(5)-(2-Aminoethyl)-2-(2,3...) Show SMILES NCC[C@H]1CN=C(N1)C1COc2ccccc2O1 |r,c:5| Show InChI InChI=1S/C13H17N3O2/c14-6-5-9-7-15-13(16-9)12-8-17-10-3-1-2-4-11(10)18-12/h1-4,9,12H,5-8,14H2,(H,15,16)/t9-,12?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50360005 (CHEMBL1928319) Show SMILES Clc1cccc2n(CC3=NCCN3)ncc12 |t:8| Show InChI InChI=1S/C11H11ClN4/c12-9-2-1-3-10-8(9)6-15-16(10)7-11-13-4-5-14-11/h1-3,6H,4-5,7H2,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by scintillation counting				Bioorg Med Chem 20: 108-16 (2011) Article DOI: 10.1016/j.bmc.2011.11.025 BindingDB Entry DOI: 10.7270/Q2DJ5G10
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514722 (CHEMBL4438801) Show SMILES CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9| Show InChI InChI=1S/C22H22N3O7P/c1-3-31-33(30,32-4-2)22(15-9-6-5-7-10-15)19-18(14-23-22)20(26)24(21(19)27)16-11-8-12-17(13-16)25(28)29/h5-14,18-19H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50497437 (CHEMBL3343701) Show SMILES Fc1c(F)c(F)c2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1F Show InChI InChI=1S/C10H7F4N5/c11-5-4-3-17-19(18-10-15-1-2-16-10)9(4)8(14)7(13)6(5)12/h3H,1-2H2,(H2,15,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]2BF1 from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 87: 386-97 (2014) Article DOI: 10.1016/j.ejmech.2014.09.083 BindingDB Entry DOI: 10.7270/Q2MW2M45
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334548 (CHEMBL1644504 | [4(5)R]-4(5)-(2-Aminoethyl)-2-[(2,...) Show SMILES NCC[C@@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1 |r,t:5| Show InChI InChI=1S/C11H14Cl2N4/c12-7-1-2-10(9(13)5-7)17-11-15-6-8(16-11)3-4-14/h1-2,5,8H,3-4,6,14H2,(H2,15,16,17)/t8-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50086502 (2-BFi | 2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole...) Show SMILES C1CN=C(N1)c1cc2ccccc2o1 |c:2| Show InChI InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Inhibition of 3 nM [3H]-clonidine binding to rat kidney membrane imidazoline receptor I-1 in presence of rauwolscine				Bioorg Med Chem Lett 10: 605-7 (2000) BindingDB Entry DOI: 10.7270/Q2PR7V63
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272811 (2-[2-(2-Thiophen-3-yl-phenyl)-ethyl]-4,5-dihydro-1...) Show SMILES C(Cc1ccccc1-c1ccsc1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H16N2S/c1-2-4-14(13-7-10-18-11-13)12(3-1)5-6-15-16-8-9-17-15/h1-4,7,10-11H,5-6,8-9H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514727 (CHEMBL4483022) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9| Show InChI InChI=1S/C16H25N2O5P/c1-3-22-24(21,23-4-2)14-13-12(10-17-14)15(19)18(16(13)20)11-8-6-5-7-9-11/h10-14H,3-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272810 (2-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)phenol | ...) Show SMILES Oc1ccccc1CCC1=NCCN1 |t:10| Show InChI InChI=1S/C11H14N2O/c14-10-4-2-1-3-9(10)5-6-11-12-7-8-13-11/h1-4,14H,5-8H2,(H,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50272780 (2-(2-o-Tolyl-ethyl)-4,5-dihydro-1H-imidazole | CHE...) Show SMILES Cc1ccccc1CCC1=NCCN1 |t:10| Show InChI InChI=1S/C12H16N2/c1-10-4-2-3-5-11(10)6-7-12-13-8-9-14-12/h2-5H,6-9H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from Imidazoline receptor 1 in Sprague-Dawley rat kidney membrane				J Med Chem 51: 5130-4 (2008) Article DOI: 10.1021/jm800400k BindingDB Entry DOI: 10.7270/Q2DF6R1N
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514739 (CHEMBL4467833) Show SMILES CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9| Show InChI InChI=1S/C11H17N2O5P/c1-4-17-19(16,18-5-2)9-8-7(6-12-9)10(14)13(3)11(8)15/h6-9H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334205 (4-Bromo-3-[(imidazolidin-2-yl)imino]indazole hydro...) Show SMILES Brc1cccc2n[nH]c(N=C3NCCN3)c12 |(7.5,-1.88,;7.54,-.35,;6.23,.46,;6.27,2,;7.62,2.73,;8.94,1.93,;10.41,2.36,;11.29,1.09,;10.35,-.13,;11.16,-1.45,;12.69,-1.42,;13.57,-.15,;15.05,-.59,;15.08,-2.13,;13.62,-2.64,;8.9,.39,)| Show InChI InChI=1S/C10H10BrN5/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10/h1-3H,4-5H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from imidazoline I1 receptor in Sprague-Dawley rat kidney membrane after 45 mins by liquid scintillation counting				Bioorg Med Chem 19: 321-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.020 BindingDB Entry DOI: 10.7270/Q2FQ9WX5
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50514720 (CHEMBL4469237) Show SMILES CCOP(=O)(OCC)C1(Cc2ccccc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:17| Show InChI InChI=1S/C23H25N2O5P/c1-3-29-31(28,30-4-2)23(15-17-11-7-5-8-12-17)20-19(16-24-23)21(26)25(22(20)27)18-13-9-6-10-14-18/h5-14,16,19-20H,3-4,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]clonidine from I1IR in human brain frontal cortex in presence of adrenaline incubated for 45 mins by liquid scintillation spectro...				J Med Chem 63: 3610-3633 (2020) Article DOI: 10.1021/acs.jmedchem.9b02080 BindingDB Entry DOI: 10.7270/Q2FB569H
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50497439 (CHEMBL3343700) Show SMILES Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12 Show InChI InChI=1S/C10H10FN5/c11-8-3-1-2-7-6-14-16(9(7)8)15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Displacement of [3H]2BF1 from imidazoline I1 receptor in Sprague-Dawley rat kidney membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 87: 386-97 (2014) Article DOI: 10.1016/j.ejmech.2014.09.083 BindingDB Entry DOI: 10.7270/Q2MW2M45
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334551 (CHEMBL1644507 | [4(5)S]-4(5)-(2-Aminoethyl)-2-[(2,...) Show SMILES NCC[C@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 |r,t:5| Show InChI InChI=1S/C11H14Cl2N4/c12-8-2-1-3-9(13)10(8)17-11-15-6-7(16-11)4-5-14/h1-3,7H,4-6,14H2,(H2,15,16,17)/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (RAT)	BDBM50334545 (CHEMBL1644503 | [4(5)S]-4(5)-(2-Aminoethyl)-2-[(6-...) Show SMILES Cc1cccc(NC2=NC[C@H](CCN)N2)n1 |r,t:7| Show InChI InChI=1S/C11H17N5/c1-8-3-2-4-10(14-8)16-11-13-7-9(15-11)5-6-12/h2-4,9H,5-7,12H2,1H3,(H2,13,14,15,16)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gdansk University of Technology Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat imidazoline I1 receptor				Bioorg Med Chem 19: 156-67 (2011) Article DOI: 10.1016/j.bmc.2010.11.039 BindingDB Entry DOI: 10.7270/Q2GH9J79
					More data for this Ligand-Target Pair
Nischarin (Homo sapiens (Human))	BDBM50086503 (2-(5-Thiocyanato-benzofuran-2-yl)-4,5-dihydro-1H-i...) Show SMILES N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14| Show InChI InChI=1S/C12H9N3OS/c13-7-17-9-1-2-10-8(5-9)6-11(16-10)12-14-3-4-15-12/h1-2,5-6H,3-4H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Inhibition of 3 nM [3H]-clonidine binding to rat kidney membrane imidazoline receptor I-1 in presence of rauwolscine				Bioorg Med Chem Lett 10: 605-7 (2000) BindingDB Entry DOI: 10.7270/Q2PR7V63
					More data for this Ligand-Target Pair

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